N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide

C11H14FN3O2 — CID 47057182

IUPACN-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
SMILESCN(CCC(=O)NC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(7-6-10(16)14-11(13)17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H3,13,14,16,17)
InChIKeyLQCCGNPNZDNHKH-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.85
Rot. Bonds4

About N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide

N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide (PubChem CID 47057182) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
PubChem CID47057182
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
SMILESCN(CCC(=O)NC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(7-6-10(16)14-11(13)17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H3,13,14,16,17)
InChIKeyLQCCGNPNZDNHKH-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
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N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
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4-fluoro-N-methyl-N-propylaniline
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4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
CID 106914418
N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide
CID 75432706
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate
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[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide?
The IUPAC name of N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide (CID 47057182) is N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide.
What is the SMILES notation for N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide?
The canonical SMILES for N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide is CN(CCC(=O)NC(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide?
The InChIKey is LQCCGNPNZDNHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(7-6-10(16)14-11(13)17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide?
N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide has a molecular weight of 239.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide is sourced from PubChem (CID 47057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).